2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane

C11H21ClN2O — CID 162378853

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane
SMILESCC(C)C.Cc1c(Cl)cnn1C(C)CO
InChIInChI=1S/C7H11ClN2O.C4H10/c1-5(4-11)10-6(2)7(8)3-9-10;1-4(2)3/h3,5,11H,4H2,1-2H3;4H,1-3H3
InChIKeyOCSDUIGJILSZKG-UHFFFAOYSA-N
MW232.75 g/mol
LogP3.06
Rot. Bonds2

About 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane

2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane (PubChem CID 162378853) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane
PubChem CID162378853
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane
SMILESCC(C)C.Cc1c(Cl)cnn1C(C)CO
InChIInChI=1S/C7H11ClN2O.C4H10/c1-5(4-11)10-6(2)7(8)3-9-10;1-4(2)3/h3,5,11H,4H2,1-2H3;4H,1-3H3
InChIKeyOCSDUIGJILSZKG-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane (CID 162378853) is 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane is CC(C)C.Cc1c(Cl)cnn1C(C)CO.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane?
The InChIKey is OCSDUIGJILSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O.C4H10/c1-5(4-11)10-6(2)7(8)3-9-10;1-4(2)3/h3,5,11H,4H2,1-2H3;4H,1-3H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane?
2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane has a molecular weight of 232.75 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)propan-1-ol;2-methylpropane is sourced from PubChem (CID 162378853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).